SCHEMBL20285552

SCHEMBL20285552

CC(C)c1cc2cc(CC(C)c3cnccn3)ccc2cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ AKT1 P31749 1/20 0.33
▸ ABL1 P00519 4/20 0.32
▸ HPGDS O60760 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22639289 0.83 ESR1 (0.36) ESR1ESR2
SCHEMBL25098855 0.81 AKT1 (0.40) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL14084760 0.75 CYP1A2 (0.48) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL20469944 0.73 HTR2A (0.40) HTR2AHTR2CHTR2BGRM4AKT1
SCHEMBL23661911 0.72 CYP1A2 (0.36) ESR1ESR2
SCHEMBL20375682 0.72 NOS1 (0.33) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL21497378 0.71 HTR2A (0.43) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL24185043 0.71 KDM4E (0.30) —
SCHEMBL23008292 0.70 HTR2A (0.42) ESR1ESR2HTR2AHTR2CHTR2B
SCHEMBL12026472 0.70 MAPT (0.44) GRM4ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 — — US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 ESR1 4777/4885ESR2 4239/4885HTR2A 4413/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 ESR1 4734/4885ESR2 3681/4885HTR2A 4144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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